2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide

C12H12N8O — CID 947907

IUPAC2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
SMILESNc1nnn(CC(=O)NN=Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C12H12N8O/c13-12-17-19-20(18-12)7-11(21)16-15-6-8-5-14-10-4-2-1-3-9(8)10/h1-6,14H,7H2,(H2,13,18)(H,16,21)
InChIKeyBMWYGBLFGNLHTQ-UHFFFAOYSA-N
MW284.28 g/mol
LogP-0.11
Rot. Bonds4

About 2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide

2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide (PubChem CID 947907) has the molecular formula C12H12N8O and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
PubChem CID947907
Molecular FormulaC12H12N8O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
SMILESNc1nnn(CC(=O)NN=Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C12H12N8O/c13-12-17-19-20(18-12)7-11(21)16-15-6-8-5-14-10-4-2-1-3-9(8)10/h1-6,14H,7H2,(H2,13,18)(H,16,21)
InChIKeyBMWYGBLFGNLHTQ-UHFFFAOYSA-N
XLogP-0.11
TPSA126.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-3-ylmethylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 679121
2-(5-aminotetrazol-2-yl)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 948163
2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5424495
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
2-(5-aminotetrazol-2-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5424503
2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 770367
2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 948248
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
3-(4,5-diphenylimidazol-1-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135641994
2-(4-amino-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 137146824
N-(1H-indol-3-ylmethylideneamino)hexadecanamide
CID 136905846
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide (CID 947907) is 2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide is Nc1nnn(CC(=O)NN=Cc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide?
The InChIKey is BMWYGBLFGNLHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N8O/c13-12-17-19-20(18-12)7-11(21)16-15-6-8-5-14-10-4-2-1-3-9(8)10/h1-6,14H,7H2,(H2,13,18)(H,16,21).
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide?
2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide has a molecular weight of 284.28 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-2-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide is sourced from PubChem (CID 947907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).